SCHEMBL21202501

SCHEMBL21202501

CCCC(C)(C)c1ccc(C(=O)c2ccc(Oc3ccc(-c4ccc(OC(C)(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 3/20 0.47
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ MAPT P10636 2/20 0.38
▸ PPARA Q07869 3/20 0.38
▸ PPARG P37231 2/20 0.38
▸ FABP2 P12104 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ ACACB O00763 1/20 0.38
▸ ACACA Q13085 1/20 0.38
▸ SRD5A2 P31213 4/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL23507208 0.85 RAB9A (0.56) ELANERAB9ANPC1POLBCYP2C9
SCHEMBL13818910 0.84 SRD5A2 (0.55) ELANERAB9ANPC1POLBCYP2C9
SCHEMBL13064135 0.84 SRD5A2 (0.51) ELANERAB9ANPC1MAPTPPARA
SCHEMBL19542245 0.84 SRD5A2 (0.51) ELANERAB9ANPC1MAPTPPARA
SCHEMBL9924204 0.81 S1PR1 (0.38) ELANERAB9ANPC1POLBCYP2C9
SCHEMBL10552166 0.80 ELANE (0.55) ELANERAB9APOLBCYP2C9MAPT
SCHEMBL21506957 0.79 SRD5A2 (0.56) ELANERAB9APOLBMAPTPPARA
SCHEMBL12087414 0.79 S1PR1 (0.37) ELANERAB9ANPC1POLBCYP2C9
SCHEMBL22538881 0.79 SRD5A2 (0.56) ELANERAB9ANPC1MAPTPPARA
SCHEMBL21515379 0.79 SRD5A2 (0.56) ELANERAB9ANPC1MAPTPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364352-B2 High temperature melt processable semi-crystalline poly(aryl ether ketone) containing a (4-hydroxyphenyl)phthalazin-1(2h)-one comonomer unit POLYMICS, LTD (US) 2019-07-30 — — US disclosed
Send feedback