SCHEMBL29952975

SCHEMBL29952975

OB(O)c1ccc(N2CCSCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LGMN Q99538 2/20 0.46
AKR1C3 P42330 1/20 0.44
THRB P10828 1/20 0.41
APP P05067 1/20 0.38
ENPP2 Q13822 3/20 0.38
CA2 P00918 3/20 0.37
CA1 P00915 2/20 0.37
TSHR P16473 1/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
MGLL Q99685 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL381631 0.81 ALDH1A1 (0.48) MAPTALDH1A1THRBTSHRKDM4E
Hydrochloric Acid SCHEMBL27043157 0.79 ALDH1A1 (0.52) MAPTALDH1A1THRBTSHRKDM4E
SCHEMBL1745699 0.79 ALDH1A1 (0.52) MAPTALDH1A1THRBTSHRKDM4E
SCHEMBL10317320 0.79 ALDH1A1 (0.52) MAPTALDH1A1THRBTSHRKDM4E
SCHEMBL102532 0.78 LMNA (0.52) MAPTALDH1A1LGMNAKR1C3TSHR
Hydrochloric Acid SCHEMBL1954079 0.78 ALDH1A1 (0.55) MAPTALDH1A1THRBTSHRKDM4E
SCHEMBL9362762 0.77 MAPT (0.53) MAPTALDH1A1LGMNAKR1C3THRB
SCHEMBL1356805 0.76 MAPT (0.57) MAPTALDH1A1ADRA2CKDM4E
SCHEMBL2591402 0.76 ADRB1 (0.57) ALDH1A1TSHRKDM4E
Hydrochloric Acid SCHEMBL5518341 0.74 ADRB1 (0.55) ALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4692072-A1 PHOTOCHROMIC COMPOUND, PROPARGYL ALCOHOL COMPOUND, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND SPECTACLES TOKUYAMA CORPORATION (JP) 2026-02-11 EP disclosed
WO-2024202087-A1 PHOTOCHROMIC COMPOUND, PROPARGYL ALCOHOL COMPOUND, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND SPECTACLES 株式会社トクヤマ 2024-10-03 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed