SCHEMBL3426887

SCHEMBL3426887

CCCCC(CC)C(c1ccccc1O)c1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.52
▸ GABRA1 P14867 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NAAA Q02083 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYSLTR2 Q9NS75 1/20 0.35
▸ CYSLTR1 Q9Y271 1/20 0.35
▸ IKBKB O14920 1/20 0.34
▸ BID P55957 3/20 0.33
▸ MCL1 Q07820 3/20 0.33
▸ BCL2L1 Q07817 2/20 0.33
▸ BAK1 Q16611 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL981362 0.83 TSHR (0.52) TSHRGABRA1GABRB2LMNAALDH1A1
SCHEMBL985334 0.82 TSHR (0.47) TSHRGABRA1GABRB2LMNAALDH1A1
SCHEMBL4981071 0.82 TSHR (0.53) TSHRGABRA1GABRB2LMNAALDH1A1
SCHEMBL981258 0.81 TSHR (0.46) TSHRGABRA1GABRB2LMNAALDH1A1
SCHEMBL983157 0.81 TSHR (0.46) TSHRGABRA1GABRB2LMNAALDH1A1
SCHEMBL982005 0.81 TSHR (0.46) TSHRGABRA1GABRB2LMNAALDH1A1
SCHEMBL980814 0.81 TSHR (0.46) TSHRGABRA1GABRB2LMNAALDH1A1
SCHEMBL982723 0.81 TSHR (0.46) TSHRGABRA1GABRB2LMNAALDH1A1
SCHEMBL982408 0.80 TSHR (0.49) TSHRGABRA1GABRB2LMNAALDH1A1
SCHEMBL10610569 0.80 TSHR (0.49) TSHRGABRA1GABRB2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112812756-B Low-oiliness cooling liquid 兰洋(宁波)科技有限公司 2022-05-06 — — CN claimed
CN-112812756-B Low-oiliness cooling liquid 兰洋(宁波)科技有限公司 2022-05-06 — — CN disclosed
EP-2247673-A1 REVERSIBLE THERMAL DISCOLORATION AQUEOUS INK COMPOSITION AND WRITING IMPLEMENT USING THE SAME AND WRITING IMPLEMENT SET THE PILOT INK CO., LTD. (JP) 2010-11-10 — — EP disclosed
WO-2009107855-A1 REVERSIBLE THERMAL DISCOLORATION AQUEOUS INK COMPOSITION AND WRITING IMPLEMENT USING THE SAME AND WRITING IMPLEMENT SET THE PILOT INK CO., LTD. (JP) 2009-09-03 — — WO disclosed
EP-0082572-B1 POLYGLYCIDYL ETHERS, THEIR PREPARATION AND THEIR USE IN CURABLE COMPOSITIONS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-02-04 — — EP disclosed
EP-0082572-A1 Polyglycidyl ethers, their preparation and their use in curable compositions SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1983-06-29 — — EP disclosed
Send feedback