SCHEMBL11377089

SCHEMBL11377089

COc1cc(C)ccc1-c1nc2ccc(C(=O)O)cc2c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ POLB P06746 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ GUSB P08236 4/20 0.46
▸ ESR1 P03372 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CYP1A1 P04798 2/20 0.42
▸ CYP1B1 Q16678 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ DHODH Q02127 1/20 0.42
▸ MGLL Q99685 1/20 0.42

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
SCHEMBL11380547 0.91 MGLL (0.48) MEN1KMT2APOLBTSHRSMN1; SMN2
SCHEMBL11374443 0.89 GUSB (0.53) MEN1KMT2APOLBTSHRSMN1; SMN2
SCHEMBL11391684 0.88 PDE5A (0.41) MEN1KMT2APOLBGUSBKDM4E
SCHEMBL11382413 0.86 GUSB (0.59) MEN1KMT2APOLBTSHRSMN1; SMN2
SCHEMBL11381831 0.85 PDE5A (0.46) POLBTSHRGUSBKDM4EALDH1A1
SCHEMBL11375670 0.82 GUSB (0.56) POLBTSHRSMN1; SMN2GUSBESR1
SCHEMBL11390124 0.81 PDE5A (0.41) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL11549248 0.81 GUSB (0.56) MEN1KMT2APOLBTSHRSMN1; SMN2
SCHEMBL11375402 0.81 AMY1A (0.50) POLBGUSBHTTMAPTTP53
SCHEMBL11379676 0.80 GUSB (0.51) MEN1KMT2APOLBTSHRSMN1; SMN2

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-4251531-A ANTIALLERGENS FARMITALIA CARLO ERBA S.P.A. (IT) 1981-02-17 — — US claimed
US-4251531-A ANTIALLERGENS FARMITALIA CARLO ERBA S.P.A. (IT) 1981-02-17 — — US disclosed
Send feedback