SCHEMBL9726232

SCHEMBL9726232

O=P(O)(OCc1ccccc1)OCc1ccccc1.O=P(O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.79
SRC P12931 2/20 0.55
ANPEP P15144 1/20 0.49
LAP3 P28838 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CETP P11597 3/20 0.47
AKR1C3 P42330 1/20 0.47
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
PDPK1 O15530 1/20 0.44
MTOR P42345 1/20 0.44
ALPG P10696 1/20 0.44
PTK2B Q14289 1/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ELANE P08246 1/20 0.43

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
SCHEMBL444558 0.95 TSHR (0.75) TSHRSRCANPEPLAP3ALDH1A1
Hydrochloric Acid SCHEMBL28976264 0.93 TSHR (0.72) TSHRSRCANPEPLAP3ALDH1A1
SCHEMBL51316 0.89 TSHR (1.00) TSHRSRCALDH1A1CETPAKR1C3
SCHEMBL27908642 0.89 TSHR (1.00) TSHRSRCALDH1A1CETPAKR1C3
SCHEMBL9446520 0.87 TSHR (0.96) TSHRSRCALDH1A1CETPAKR1C3
SCHEMBL11756554 0.87 TSHR (0.96) TSHRSRCALDH1A1CETPAKR1C3
Ammonia Solution, Strong SCHEMBL7268743 0.87 TSHR (0.96) TSHRSRCALDH1A1CETPAKR1C3
SCHEMBL4219700 0.87 TSHR (0.96) TSHRSRCALDH1A1CETPAKR1C3
SCHEMBL28032525 0.87 TSHR (0.96) TSHRSRCALDH1A1CETPAKR1C3
Hydrochloric Acid SCHEMBL10722992 0.87 TSHR (0.96) TSHRSRCALDH1A1CETPAKR1C3

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
US-5108997-A Microbiocides FUJISAWA PHARMACEUTICALS CO., LTD. (JP) 1992-04-28 US disclosed
US-4927818-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-22 US disclosed