SCHEMBL7005913

SCHEMBL7005913

CCCCC(N)(CCCC)CCNCCC(N)(CCCC)CCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
FDPS P14324 3/20 0.37
ADH1B P00325 2/20 0.32
ADH1C P00326 2/20 0.32
ADH1A P07327 2/20 0.32
ADH7 P40394 2/20 0.32
CYP2C19 P33261 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GLA P06280 1/20 0.32
EPHX1 P07099 1/20 0.31
ADH4 P08319 1/20 0.31
CYP1A2 P05177 1/20 0.31
CA12 O43570 1/20 0.30
CA6 P23280 1/20 0.30
CA7 P43166 1/20 0.30
RECQL P46063 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL93609 0.84 FDPS (0.46) TSHRALDH1A1FDPSMEN1KMT2A
SCHEMBL7524597 0.82 CA12 (0.37) TSHRALDH1A1CYP2C19MEN1KMT2A
SCHEMBL25243958 0.82 TSHR (0.48) TSHRALDH1A1CYP2C19MEN1KMT2A
SCHEMBL25990023 0.81 TSHR (0.46) TSHRALDH1A1ADH1BADH1CADH1A
Fluoride SCHEMBL4871826 0.81 FDPS (0.44) TSHRALDH1A1FDPSMEN1KMT2A
Water SCHEMBL661747 0.81 FDPS (0.44) TSHRALDH1A1FDPSMEN1KMT2A
Bromide SCHEMBL309594 0.81 FDPS (0.44) TSHRALDH1A1FDPSMEN1KMT2A
Iodide SCHEMBL553007 0.81 FDPS (0.44) TSHRALDH1A1FDPSMEN1KMT2A
Hydrochloric Acid SCHEMBL363004 0.81 FDPS (0.44) TSHRFDPSSMPD1
SCHEMBL23200340 0.80 CASP2 (0.46) TSHRALDH1A1CYP2C19MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322906-A1 OPTICAL DATA STORAGE DEVICE CONTAINING A CO-PHTHALOCYANIN COMPLEX IN THE OPTICALLY WRITABLE INFORMATION LAYER Bayer Aktiengesellschaft (DE) 2003-07-02 EP claimed
WO-2002025205-A1 OPTICAL DATA STORAGE DEVICE CONTAINING A CO-PHTHALOCYANIN COMPLEX IN THE OPTICALLY WRITABLE INFORMATION LAYER BAYER AKTIENGESELLSCHAFT (DE) 2002-03-28 WO claimed