SCHEMBL7994732

SCHEMBL7994732

[CH2]CC#CCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.50
HMGCR P04035 3/20 0.50
RECQL P46063 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 2/20 0.42
THRB P10828 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 3/20 0.39
RAB9A P51151 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL313624 1.00 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL3866734 1.00 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL1038888 1.00 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL313546 1.00 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL10949267 1.00 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL1117101 1.00 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL154494 1.00 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL9514818 1.00 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL9515428 1.00 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL157189 0.97

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024024963-A1 MODIFIED POLYISOCYANATE, COATING AND COATED METAL MATERIAL 関西ペイント株式会社 2024-02-01 WO disclosed
US-6284784-B1 2-HYDROXYMETHYL DERIVATIVES GEORGETOWN UNIVERSITY 2001-09-04 US disclosed
EP-1015427-A1 SUBSTITUTED 2-PYRROLIDINONE ACTIVATORS OF PKC GEORGETOWN UNIVERSITY (US) 2000-07-05 EP disclosed
US-5962504-A ACTIVATOR OF PROTEIN KINASE; ANTICANCER AGENT GEORGETOWN UNIVERSITY (US) 1999-10-05 US disclosed
WO-1999012901-A1 SUBSTITUTED 2-PYRROLIDINONE ACTIVATORS OF PKC GEORGETOWN UNIVERSITY (US) 1999-03-18 WO disclosed
US-5879585-A EXHIBIT GOOD MISCIBILITY WITH OTHER LIQUID CRYSTALLINE COMPOUNDS; USEFUL FOR DISPLAY OF WATCHES, COMPUTER TERMINALS, AND TELEVISIONS CHISSO CORPORATION (JP) 1999-03-09 US disclosed
EP-0837045-A1 Liquid crystalline compound having alkynyl group, and liquid crystal composition and liquid crystal display device therefrom Chisso Corporation (JP) 1998-04-22 EP disclosed
EP-0411615-B1 4-(N-substituted amino)-2-butynyl-1-ureas and thioureas and derivatives thereof as centrally acting muscarinic agents WARNER LAMBERT CO (US) 1993-12-29 EP disclosed
US-4996201-A Alzheimer's disease WARNER-LAMBERT CO. (US) 1991-02-26 US disclosed
EP-0411616-A1 4-(N-substituted amino)-2-butynyl-1-carbamates and thiocarbamates and derivatives thereof as centrally acting muscarinic agents WARNER-LAMBERT COMPANY (US) 1991-02-06 EP disclosed
EP-0411615-A1 4-(N-substituted amino)-2-butynyl-1-ureas and thioureas and derivatives thereof as centrally acting muscarinic agents WARNER-LAMBERT COMPANY (US) 1991-02-06 EP disclosed
US-4988688-A Cognitive activators WARNER-LAMBERT COMPANY (US) 1991-01-29 US disclosed
US-4562005-A ANTITUMOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-12-31 US disclosed